General Information of the Compound
| Compound ID |
CP0515587
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| Compound Name |
1'-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one
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| Structure |
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| Formula |
C28H31F3N4O
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| Molecular Weight |
496.577
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| Canonical SMILES |
CC(C)c1ccc2N(Cc3cccc(c3)C(F)(F)F)C(=O)C3(CCN(Cc4nccn4C)CC3)c2c1
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| InChI |
InChI=1S/C28H31F3N4O/c1-19(2)21-7-8-24-23(16-21)27(9-12-34(13-10-27)18-25-32-11-14-33(25)3)26(36)35(24)17-20-5-4-6-22(15-20)28(29,30)31/h4-8,11,14-16,19H,9-10,12-13,17-18H2,1-3H3
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| InChIKey |
ATZLTGLLQQSUDS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound